2-(6-chloro-1-benzofuran-2-yl)acetic acid

C10H7ClO3 — CID 82612573

IUPAC2-(6-chloro-1-benzofuran-2-yl)acetic acid
SMILESO=C(O)Cc1cc2ccc(Cl)cc2o1
InChIInChI=1S/C10H7ClO3/c11-7-2-1-6-3-8(5-10(12)13)14-9(6)4-7/h1-4H,5H2,(H,12,13)
InChIKeyHJMFIGFCZGNZEV-UHFFFAOYSA-N
MW210.62 g/mol
LogP2.71
Rot. Bonds2

About 2-(6-chloro-1-benzofuran-2-yl)acetic acid

2-(6-chloro-1-benzofuran-2-yl)acetic acid (PubChem CID 82612573) has the molecular formula C10H7ClO3 and a molecular weight of 210.62 g/mol. Its IUPAC name is 2-(6-chloro-1-benzofuran-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6-chloro-1-benzofuran-2-yl)acetic acid
PubChem CID82612573
Molecular FormulaC10H7ClO3
Molecular Weight210.62 g/mol
Exact Mass210.01
IUPAC Name2-(6-chloro-1-benzofuran-2-yl)acetic acid
SMILESO=C(O)Cc1cc2ccc(Cl)cc2o1
InChIInChI=1S/C10H7ClO3/c11-7-2-1-6-3-8(5-10(12)13)14-9(6)4-7/h1-4H,5H2,(H,12,13)
InChIKeyHJMFIGFCZGNZEV-UHFFFAOYSA-N
XLogP2.71
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(6-chloro-1-benzofuran-2-yl)methyl]triazole-4-carboxylic acid
CID 139488020
6-chloro-2-(phenoxymethyl)-1-benzofuran
CID 117179310
ethyl 2-(5-chloro-1-benzofuran-2-yl)acetate
CID 82645490
2-(6-chloro-1-benzofuran-2-yl)-2-oxoacetamide
CID 144811542
2-(5-phenyl-1-benzofuran-2-yl)acetic acid
CID 82177271
6-chloro-2-(propan-2-yloxymethyl)-1-benzofuran
CID 117179425
6-chloro-2-(propan-2-ylsulfanylmethyl)-1-benzofuran
CID 117179426
2-[4-chloro-2-(hydroxymethyl)phenyl]acetic acid
CID 69113345
6-chloro-2-[(3-chlorophenoxy)methyl]-1-benzofuran
CID 117179353
6-chloro-2-[(4-fluorophenoxy)methyl]-1-benzofuran
CID 117179379
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
(7-chloro-2-oxochromen-3-yl) acetate
CID 118378743

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-benzofuran-2-yl)acetic acid?
The IUPAC name of 2-(6-chloro-1-benzofuran-2-yl)acetic acid (CID 82612573) is 2-(6-chloro-1-benzofuran-2-yl)acetic acid.
What is the SMILES notation for 2-(6-chloro-1-benzofuran-2-yl)acetic acid?
The canonical SMILES for 2-(6-chloro-1-benzofuran-2-yl)acetic acid is O=C(O)Cc1cc2ccc(Cl)cc2o1.
What is the InChIKey of 2-(6-chloro-1-benzofuran-2-yl)acetic acid?
The InChIKey is HJMFIGFCZGNZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO3/c11-7-2-1-6-3-8(5-10(12)13)14-9(6)4-7/h1-4H,5H2,(H,12,13).
What are the key properties of 2-(6-chloro-1-benzofuran-2-yl)acetic acid?
2-(6-chloro-1-benzofuran-2-yl)acetic acid has a molecular weight of 210.62 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-benzofuran-2-yl)acetic acid is sourced from PubChem (CID 82612573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).